N-cyclododecylidenehydroxylamine

• ChemBase ID: 84761
• Molecular Formular: C12H23NO
• Molecular Mass: 197.31712
• Monoisotopic Mass: 197.17796436
• SMILES: N(=C1CCCCCCCCCCC1)O
• Canonical SMILES: ON=C1CCCCCCCCCCC1
• InChI: InChI=1S/C12H23NO/c14-13-12-10-8-6-4-2-1-3-5-7-9-11-12/h14H,1-11H2
• InChIKey: SCRFXJBEIINMIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclododecylidenehydroxylamine
• IUPAC Traditional name: N-cyclododecylidenehydroxylamine
• Synonyms: cyclododecanone oxime

Database IDs

• MDL Number: MFCD00160763
• PubChem SID: 162071877
• PubChem CID: 136762

CALCULATED PROPERTIES

• Acid pKa: 12.479262
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1559043
• LogD (pH = 7.4): 4.1649656
• Log P: 4.1650863
• Molar Refractivity: 59.6751 cm^3
• Polarizability: 23.526913 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true